SCHEMBL7311550

SCHEMBL7311550

COc1[nH]c2ccccc2c1OC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.41
NR4A2 P43354 2/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 3/20 0.40
KIF11 P52732 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
GPR3 P46089 1/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4208427 0.82 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL10671842 0.77 NR4A2 (0.46) KDM4EALDH1A1SMN1; SMN2NR4A2ATM
SCHEMBL1557504 0.76 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL28855043 0.76 HSD17B10 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL2592358 0.72 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL13485706 0.71 KMT2A (0.50) KDM4EALDH1A1SMN1; SMN2MAPTATM
SCHEMBL2006899 0.71 AHR (0.57) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL6526599 0.70 GSK3B (0.56) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
SCHEMBL12613819 0.69 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPTNR4A2
Carbazole SCHEMBL3692485 0.69 ALDH1A1 (0.78) KDM4EALDH1A1SMN1; SMN2MAPTATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845092-A OF VISCERAL PAIN IN MAMMALS, HUMANS BEECHAM GROUP PLC (GB) 1989-07-04 US claimed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 US claimed
EP-0279512-A2 Use of certain 5-HT3 receptor antagonists in the treatment of visceral pain BEECHAM GROUP PLC (GB) 1988-08-24 EP claimed
US-4845092-A OF VISCERAL PAIN IN MAMMALS, HUMANS BEECHAM GROUP PLC (GB) 1989-07-04 US disclosed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 US disclosed
EP-0279512-A2 Use of certain 5-HT3 receptor antagonists in the treatment of visceral pain BEECHAM GROUP PLC (GB) 1988-08-24 EP disclosed